SCHEMBL7993567

SCHEMBL7993567

Cc1nn(C)c(C)c1CCl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.37
P2RX7 Q99572 1/20 0.35
POLB P06746 1/20 0.35
NR2F2 P24468 2/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.34
MPO P05164 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL20138104 0.79 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL6760580 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL26927492 0.77 GAA (0.33) SMN1; SMN2ALDH1A1GAA
SCHEMBL762264 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL5898267 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL5898273 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL6744408 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL29339802 0.76 GAA (0.42) SMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL5010811 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL12844283 0.74 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAARAB9ANPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 US disclosed
CN-107873031-A Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2018-04-03 CN disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A SMN1; SMN2 798/4885ALDH1A1 557/4885GAA 615/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 SMN1; SMN2 4377/4885ALDH1A1 638/4885GAA 673/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA SMN1; SMN2 419/4885ALDH1A1 244/4885GAA 1575/4885

“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.