SCHEMBL17985012

SCHEMBL17985012

Fc1ccc(-c2ccc3c(n2)CCNC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.46
HTR2B P41595 15/20 0.46
HTR2A P28223 14/20 0.46
CYP3A4 P08684 1/20 0.41
HTR7 P34969 1/20 0.41
MLNR O43193 1/20 0.39
CYP2D6 P10635 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 SCHEMBL19664799 0.98 HTR2C (0.45) HTR2CHTR2BHTR2ACYP3A4HTR7
Hydrochloric Acid SCHEMBL2910827 0.98 HTR2C (0.45) HTR2CHTR2BHTR2ACYP3A4HTR7
SCHEMBL17984881 0.85 CYP1A2 (0.38) HTR2CHTR2BHTR2ACYP2D6
SCHEMBL3236226 0.84 CYP3A4 (0.57) HTR2CHTR2BHTR2ACYP3A4
SCHEMBL19674741 0.84 CYP3A4 (0.42) HTR2CHTR2BHTR2ACYP3A4MLNR
Hydrochloric Acid SCHEMBL19664944 0.83 CYP3A4 (0.56) HTR2CHTR2BHTR2ACYP3A4
SCHEMBL17984847 0.82 CYP3A4 (0.47) HTR2CHTR2BHTR2ACYP3A4HTR7
Hydrochloric Acid SCHEMBL2913654 0.82 ASIC3 (0.46) HTR2CHTR2BHTR2ACYP3A4
SCHEMBL17984843 0.80 HTR2C (0.47) HTR2CHTR2BHTR2ACYP3A4
SCHEMBL19674824 0.80 KMO (0.40) HTR2CHTR2BHTR2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
WO-2016119706-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE 南京明德新药研发股份有限公司 2016-08-04 WO 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 (2 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-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 HTR2C 4132/4885HTR2B 4095/4885HTR2A 4312/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 HTR2C 4132/4885HTR2B 4095/4885HTR2A 4312/4885

“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.