SCHEMBL15955422

SCHEMBL15955422

CN(Cc1ccccc1)c1c[nH]nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
AOC3 Q16853 1/20 0.41
BRD4 O60885 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PYCR1 P32322 1/20 0.40
PIM1 P11309 2/20 0.39
CSF1R P07333 1/20 0.39
BLM P54132 1/20 0.39
CA12 O43570 1/20 0.39

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 SCHEMBL31563741 0.98 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL27860489 0.74 SLC6A2 (0.36) SMN1; SMN2TSHRALDH1A1AOC3MAOA
SCHEMBL4724209 0.74
SCHEMBL1851448 0.73 DHFR (0.37) SMN1; SMN2KMT2AHTTPIM1CSF1R
SCHEMBL16921728 0.71 HRH3 (0.41)
SCHEMBL29661913 0.70 CNR2 (0.40) SMN1; SMN2TSHRKMT2AALDH1A1KDM4E
SCHEMBL4747138 0.69 CHRM2 (0.63) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL16921940 0.69 ESR1 (0.33)
SCHEMBL16922002 0.69 HRH3 (0.33)
SCHEMBL3008603 0.69 KDM4E (0.47) SMN1; SMN2TSHRMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3946463-A1 COMPOSITIONS, DEVICES AND METHODS FOR FACTOR VII THERAPY Sigilon Therapeutics, Inc. (US) 2022-02-09 EP disclosed
WO-2020198695-A1 COMPOSITIONS, DEVICES AND METHODS FOR FACTOR VII THERAPY SIGILON THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9725426-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. 2015-10-01 US disclosed
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2015-09-24 US disclosed
US-20150202186-A1 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN SOVA PHARMACEUTICALS, INC. 2015-07-23 US disclosed
US-20150203841-A1 TEMPLATE DIRECTED SPLIT AND MIX SYNTHESIS OF SMALL MOLECULE LIBRARIES RASMUSSEN PETER BIRK (DK) 2015-07-23 US disclosed
US-20140235509-A1 TEMPLATE DIRECTED SPLIT AND MIX SYNTHESIS OF SMALL MOLECULE LIBRARIES RASMUSSEN PETER BIRK (DK) 2014-08-21 US 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 (4 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-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT SMN1; SMN2 2868/4885TSHR 4585/4885MAPT 2893/4885
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT SMN1; SMN2 2868/4885TSHR 4585/4885MAPT 2893/4885
US-20150202186-A1 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN CBS, CTH, MTR SMN1; SMN2 418/4885TSHR 4817/4885MAPT 1719/4885
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS HIF1AN, CBS, COXFA4L2 SMN1; SMN2 1639/4885TSHR 4556/4885MAPT 3866/4885

“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.