SCHEMBL18172876

SCHEMBL18172876

NC1CC1C=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 1.00
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
MAOB P27338 5/20 0.42
MAOA P21397 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2B6 P20813 2/20 0.41

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
SCHEMBL18172874 1.00 KDM1A (1.00) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18181877 1.00 KDM1A (1.00) KDM1ATUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL18172529 0.98 KDM1A (0.96) KDM1ATUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL18173486 0.98 KDM1A (0.96) KDM1ATUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL18172531 0.98 KDM1A (0.96) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18173264 0.77 KDM1A (0.62) KDM1ACYP2C19CYP2D6CYP2C9CYP19A1
SCHEMBL18173262 0.77 KDM1A (0.62) KDM1ACYP2C19CYP2D6CYP2C9CYP19A1
SCHEMBL9146842 0.75 TUBB4A (0.60) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30014642 0.75 TUBB4A (0.60) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9150230 0.75 TUBB4A (0.60) KDM1ATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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 (1 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A KDM1A 2/4885TUBB4A 3261/4885TUBB 2804/4885

“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.