SCHEMBL6831037

SCHEMBL6831037

OCCNCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
SLC2A4 P14672 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM2 P08172 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6266714 0.98 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2SLC2A4CYP3A4CYP2D6
SCHEMBL7973575 0.88 ALDH1A1 (0.60) ALDH1A1SLC2A4CYP3A4CYP2D6KDM4E
SCHEMBL29444840 0.86 MEN1 (0.56) ALDH1A1SMN1; SMN2SLC2A4CYP3A4CYP2D6
SCHEMBL1625535 0.84 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2PDCD1CD274KDM4E
Gapicomine SCHEMBL1037773 0.81 SLC2A4 (0.61) ALDH1A1SLC2A4CYP3A4CYP2D6CYP2C19
SCHEMBL1659835 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2D6KDM4EGLA
SCHEMBL10862726 0.80 KMT2A (0.50) ALDH1A1SMN1; SMN2CYP2D6KDM4EGLA
Gapicomine SCHEMBL6121683 0.79 SLC2A4 (0.59) ALDH1A1SMN1; SMN2SLC2A4CYP3A4CYP2D6
SCHEMBL10054983 0.79 SLC2A4 (0.59) ALDH1A1SMN1; SMN2SLC2A4CYP2D6KDM4E
Gapicomine SCHEMBL9336954 0.79 SLC2A4 (0.59) ALDH1A1SMN1; SMN2SLC2A4CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220439-A1 COMPOSITIONS USEFUL FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20200199127-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-25 US disclosed
EP-3630768-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-04-08 EP disclosed
WO-2018219927-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-12-06 WO disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200199127-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ADRB2, ADRA2C, OPRD1 ALDH1A1 772/4885SMN1; SMN2 2311/4885SLC2A4 436/4885
US-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 ALDH1A1 3134/4885SMN1; SMN2 3474/4885SLC2A4 2684/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 ALDH1A1 3173/4885SMN1; SMN2 3396/4885SLC2A4 2668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.